Dataset
![molecular Image]()
Ethylparaben
Chemical Info
| InChI | InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O)C=C1 |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.063 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF415603 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:46:27.907616 |
| MetadataModified | 2025-02-09T19:49:33.413808 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| ETHYL-P-HYDROXYBENZOATE | rxnorm |
| 50428380 | BindingDB |
| J2.917C | Nikkaji |
| FEGLEI | CCDC |
| 10024859 | NMRShiftDB |
| 478729 | eMolecules |
| CB9273573 | ChemicalBook |
| PD002502 | ProbesDrugs |
| E4B | PDBe |
| 14255EXE39 | FDA SRS |
| MCULE-4906467392 | Mcule |
| 14772514 | PubChem: Thomson Pharma |
| SCHEMBL28368 | SureChEMBL |
| 120-47-8 | ACToR |
| 9001-05-2 | ACToR |
| CHEMBL15841 | ChEMBL |
| 4773 | DrugCentral |
| DTXSID9022528 | EPA CompTox Dashboard |
| 31575 | ChEBI |
| HY-B0934 | MedChemExpress |
| ZINC000000001392 | ZINC |
| 54717 | Brenda |
| CB5119772 | ChemicalBook |
| HMDB0032573 | Human Metabolome Database |
| 119107 | Brenda |
| MTBLC31575 | Metabolights |
| 62701 | Brenda |
| DB13628 | DrugBank |
| 8434 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |